﻿t,bond 1-2,bond 1-14,tot energy / Eh
0,1.7932532599,1.8242087929,-1112.682393
0.5,1.7893317017,1.8191210855,-1112.68241
1,1.7854749657,1.8140250779,-1112.682424
1.5,1.7815393638,1.8088782852,-1112.682409
2,1.7775575101,1.8037486156,-1112.682382
2.5,1.7735498443,1.7985881149,-1112.68241
3,1.7695665694,1.7934524824,-1112.682413
3.5,1.7656679523,1.7884673322,-1112.682402
4,1.7618666629,1.7835958397,-1112.682406
4.5,1.7583094178,1.7790664336,-1112.682406
5,1.7550810765,1.7749736493,-1112.682407
5.5,1.7522352166,1.7713684839,-1112.682407
6,1.7498396693,1.7683318259,-1112.68241
6.5,1.7480093187,1.7660393771,-1112.682412
7,1.7467398001,1.764444702,-1112.68241
7.5,1.7460353022,1.7636043578,-1112.682401
8,1.7458887788,1.7634986595,-1112.68241
8.5,1.7463169359,1.7640815092,-1112.682412
9,1.7473240267,1.7653253175,-1112.682405
9.5,1.7487839691,1.7671361702,-1112.682421
10,1.7506309238,1.769440799,-1112.682413
10.5,1.7527735193,1.7721097033,-1112.682418
11,1.755160346,1.7749976864,-1112.682413
11.5,1.7576925739,1.7779792117,-1112.682418
12,1.7602320337,1.7809206884,-1112.682418
12.5,1.7626850305,1.7836969681,-1112.682431
13,1.7649391934,1.7862341465,-1112.682425
13.5,1.7669320659,1.7884661243,-1112.682419
14,1.7685842176,1.7903142585,-1112.682422
14.5,1.7698853318,1.7917474946,-1112.682423
15,1.7708815882,1.7928536094,-1112.682423
15.5,1.771530257,1.7935876094,-1112.682426
16,1.7718248432,1.7939753477,-1112.682412
16.5,1.7718161714,1.7940504294,-1112.682415
17,1.7715481557,1.7938665214,-1112.682425
17.5,1.7711105578,1.7934560271,-1112.682427
18,1.7705773093,1.7928382614,-1112.68242
18.5,1.7699490248,1.7919958055,-1112.682419
19,1.7692397504,1.7909722321,-1112.682418
19.5,1.7684810351,1.7897987101,-1112.68242
20,1.7676651154,1.788425697,-1112.682422
20.5,1.7668588798,1.786877806,-1112.682424
21,1.7660978548,1.7851760528,-1112.682423
21.5,1.7653388386,1.7832978081,-1112.682425
22,1.7645352737,1.7812005703,-1112.68243
22.5,1.7636799637,1.7788878102,-1112.682424
23,1.7627975164,1.776383166,-1112.682424
23.5,1.7618667713,1.7736409796,-1112.68243
24,1.7609081919,1.7707256261,-1112.682424
24.5,1.7599842469,1.7677022956,-1112.68242
25,1.7591449539,1.7646114939,-1112.682427
25.5,1.7584643159,1.7615666991,-1112.682431
26,1.7580279047,1.7586941864,-1112.682422
26.5,1.7579734579,1.7561331393,-1112.682419
27,1.758348924,1.7539866228,-1112.682427
27.5,1.7592709518,1.7524142409,-1112.682427
28,1.7608148736,1.7514825627,-1112.682415
28.5,1.7630321194,1.7512768509,-1112.682425
29,1.7659404294,1.7518506796,-1112.682423
29.5,1.7695504476,1.7532379908,-1112.682415
30,1.7738103138,1.7554164587,-1112.682415
30.5,1.7786689459,1.7583360301,-1112.682424
31,1.7840838156,1.7619939773,-1112.682428
31.5,1.7899719386,1.7662758398,-1112.682427
32,1.7961864322,1.7710612416,-1112.682425
32.5,1.8026203848,1.7762275228,-1112.682431
33,1.809152673,1.7816504076,-1112.68243
33.5,1.8157155473,1.7872395239,-1112.68243
34,1.8221902013,1.7928423085,-1112.682432
34.5,1.8284499511,1.7983314515,-1112.682438
35,1.8344645187,1.8036812025,-1112.682434
35.5,1.8402198609,1.8088630264,-1112.68243
36,1.8456659923,1.8138070858,-1112.682439
36.5,1.8507527788,1.8185539959,-1112.682443
37,1.8554593619,1.8231155644,-1112.682428
37.5,1.8597456526,1.8275199909,-1112.682435
38,1.8635711369,1.8317794639,-1112.68244
38.5,1.8669886823,1.8359444839,-1112.682437
39,1.8700183035,1.8400032629,-1112.682435
39.5,1.8726320469,1.8439632708,-1112.68243
40,1.8748295676,1.8478050158,-1112.682429
40.5,1.8766528648,1.8515267858,-1112.682434
41,1.8780797538,1.8550786904,-1112.68243
41.5,1.8791216995,1.8584298709,-1112.682428
42,1.8797710439,1.8615575995,-1112.682425
42.5,1.8800840646,1.8644353476,-1112.682427
43,1.8800145448,1.8669803558,-1112.682424
43.5,1.8795727835,1.8691574926,-1112.682427
44,1.8787568989,1.8709351293,-1112.682426
44.5,1.8775975275,1.8722906922,-1112.682424
45,1.8761098038,1.87319492,-1112.682425
45.5,1.8743375132,1.8736682529,-1112.682424
46,1.8723232606,1.8737582411,-1112.682428
46.5,1.8701325878,1.8734778808,-1112.682432
47,1.8678564169,1.8728929119,-1112.682429
47.5,1.8655387999,1.8720623229,-1112.682421
48,1.8632595011,1.8710776288,-1112.682426
48.5,1.8610761971,1.8700002237,-1112.682426
49,1.8590618694,1.8689289803,-1112.682427
49.5,1.8573229929,1.8679769648,-1112.682421
50,1.8559083423,1.8672056899,-1112.682422
50.5,1.8548921196,1.8667084378,-1112.682416
51,1.8542932436,1.8665079943,-1112.682421
51.5,1.8541568388,1.8666602505,-1112.682417
52,1.8544550978,1.8671261636,-1112.682411
52.5,1.855175474,1.867877232,-1112.682412
53,1.8562787944,1.8689307596,-1112.682414
53.5,1.8577215836,1.8702357273,-1112.682417
54,1.8594338746,1.8717215953,-1112.682422
54.5,1.8613099383,1.8733071782,-1112.682418
55,1.8633223666,1.874931901,-1112.682418
55.5,1.8653654068,1.8764778722,-1112.682418
56,1.8673886679,1.877871572,-1112.682426
56.5,1.8693798775,1.8790901111,-1112.682423
57,1.8713289686,1.8800995975,-1112.682421
57.5,1.8731811329,1.8808872317,-1112.682422
58,1.8749032853,1.8814000459,-1112.682421
58.5,1.8764785353,1.881619103,-1112.682423
59,1.8778835265,1.8815673429,-1112.682419
59.5,1.8790871991,1.8812698382,-1112.682419
60,1.8800642658,1.8807727258,-1112.682421
60.5,1.8807725597,1.8801426883,-1112.682414
61,1.8811817613,1.8793802789,-1112.682415
61.5,1.8812814031,1.8784845398,-1112.682422
62,1.8810840734,1.8774545135,-1112.682423
62.5,1.8805628907,1.8762719135,-1112.68242
63,1.879721731,1.8749360243,-1112.682411
63.5,1.8785071965,1.8734334935,-1112.68241
64,1.8768731216,1.8716795561,-1112.682417
64.5,1.8747745125,1.8696328779,-1112.682409
65,1.8722116509,1.8672614264,-1112.682416
65.5,1.8691743378,1.8645341561,-1112.682414
66,1.8656544052,1.8614061297,-1112.682413
66.5,1.8616578313,1.8578622886,-1112.682414
67,1.857229292,1.8539507464,-1112.682417
67.5,1.8523634529,1.8496831312,-1112.682415
68,1.8471635757,1.8451756906,-1112.68241
68.5,1.841682254,1.8404605455,-1112.68242
69,1.8359605466,1.8355850563,-1112.682422
69.5,1.8300694473,1.8306253919,-1112.682421
70,1.8240662798,1.8256636279,-1112.682422
70.5,1.8180253575,1.8208085858,-1112.682423
71,1.811977463,1.8161372428,-1112.682423
71.5,1.8060135822,1.8117033554,-1112.682425
72,1.8001971302,1.8075865199,-1112.682423
72.5,1.7945891075,1.803871992,-1112.682423
73,1.7892431614,1.8006000188,-1112.682424
73.5,1.7842059095,1.7977706733,-1112.68242
74,1.7795014746,1.7953799997,-1112.682416
74.5,1.7751051404,1.7934106529,-1112.682416
75,1.7710277402,1.7918359991,-1112.682413
75.5,1.7672275585,1.7906016061,-1112.682414
76,1.7636529888,1.7896729625,-1112.682425
76.5,1.7602941229,1.7889908927,-1112.682424
77,1.7571392833,1.78852125,-1112.682423
77.5,1.7541860743,1.7882426682,-1112.682433
78,1.7514495371,1.7881338264,-1112.682433
78.5,1.7489167555,1.7881188524,-1112.682427
79,1.7465610392,1.7882181362,-1112.682438
79.5,1.7443986773,1.7884050248,-1112.682437
80,1.7424293701,1.7886003405,-1112.682435
80.5,1.7406402245,1.7887788674,-1112.682438
81,1.7389859825,1.7889139092,-1112.682443
81.5,1.7374567737,1.7890096826,-1112.682439
82,1.7359915772,1.7890593716,-1112.682436
82.5,1.7345674948,1.7890842016,-1112.682437
83,1.7331831449,1.7891058744,-1112.68244
83.5,1.7318324719,1.7891377192,-1112.682442
84,1.7304947484,1.7892031135,-1112.682441
84.5,1.7291549779,1.789299617,-1112.682443
85,1.7278101504,1.789404911,-1112.682443
85.5,1.7264437679,1.7894926433,-1112.682434
86,1.7250341625,1.7895402423,-1112.682433
86.5,1.7236345943,1.7895687342,-1112.68244
87,1.7221916477,1.7895180872,-1112.682435
87.5,1.7206821676,1.7893861995,-1112.682435
88,1.7191776524,1.7891947337,-1112.682433
88.5,1.7177327923,1.7889420352,-1112.682427
89,1.716376392,1.788640994,-1112.682429
89.5,1.715164448,1.7883190676,-1112.682429
90,1.7141565711,1.7880236052,-1112.68243
90.5,1.7133669473,1.7877906449,-1112.682423
91,1.7127417693,1.7876028542,-1112.682422
91.5,1.7123383596,1.7874907236,-1112.682434
92,1.7121508521,1.7874721805,-1112.682437
92.5,1.7121487833,1.7875778918,-1112.682422
93,1.7123344284,1.7878350036,-1112.682425
93.5,1.7126459083,1.788226519,-1112.682439
94,1.7130780934,1.7887921818,-1112.682453
94.5,1.7136662997,1.7895980547,-1112.68244
95,1.714411106,1.7906192305,-1112.682446
95.5,1.7152744848,1.7918734665,-1112.68244
96,1.7162731251,1.7933551369,-1112.682442
96.5,1.7174555961,1.7950660807,-1112.682449
97,1.7188211334,1.7969859481,-1112.682451
97.5,1.7203983646,1.799117574,-1112.682448
98,1.7221702609,1.8014505905,-1112.682449
98.5,1.7242037415,1.8040132449,-1112.682451
99,1.7265636212,1.8068811104,-1112.682454
99.5,1.7292597156,1.8100485722,-1112.682453
100,1.7323321898,1.813516933,-1112.68245
100.5,1.735806229,1.8173061803,-1112.682454
101,1.7397165031,1.8214370152,-1112.682462
101.5,1.7440714333,1.8258980923,-1112.682461
102,1.7488352856,1.8306373951,-1112.682457
102.5,1.7539487179,1.8355298449,-1112.682446
103,1.7593316372,1.8404787835,-1112.682444
103.5,1.7649670464,1.8454721311,-1112.682454
104,1.7707945468,1.8504456217,-1112.682464
104.5,1.7767126481,1.8553098459,-1112.682462
105,1.7825929435,1.8600081482,-1112.682455
105.5,1.7883542506,1.8644572791,-1112.682457
106,1.7939392301,1.8686495081,-1112.682454
106.5,1.7992308892,1.8725160203,-1112.682464
107,1.8041719061,1.8760678663,-1112.68247
107.5,1.8087620203,1.8792712514,-1112.682469
108,1.8129856701,1.882081169,-1112.682474
108.5,1.8168366722,1.8844465594,-1112.682472
109,1.8203156942,1.8864013889,-1112.682474
109.5,1.8235101188,1.8880530853,-1112.682477
110,1.8264576298,1.8894162872,-1112.682481
110.5,1.8293218864,1.8905662503,-1112.682481
111,1.8321734894,1.8915292935,-1112.682484
111.5,1.8350559608,1.8923446191,-1112.682486
112,1.8380098524,1.8930521489,-1112.682478
112.5,1.8410942751,1.8937235723,-1112.682481
113,1.8443504629,1.8944242586,-1112.682486
113.5,1.8477905124,1.8951217402,-1112.682484
114,1.8513764946,1.8957910114,-1112.682486
114.5,1.8550828936,1.8964688639,-1112.682494
115,1.8588835056,1.8971642827,-1112.682482
115.5,1.8627081208,1.8978491874,-1112.68248
116,1.8664885534,1.8984941967,-1112.682494
116.5,1.8701757164,1.8991042042,-1112.682496
117,1.873708312,1.8996815856,-1112.682493
117.5,1.8770268354,1.9001897055,-1112.682497
118,1.8800525063,1.9005788114,-1112.682481
118.5,1.882759522,1.900827701,-1112.682484
119,1.885181692,1.9009453752,-1112.682488
119.5,1.8873356229,1.9009283126,-1112.682489
120,1.8892555806,1.9008197929,-1112.682493
120.5,1.8909670365,1.9006274674,-1112.682496
121,1.8925503589,1.9004045676,-1112.682488
121.5,1.8940549189,1.9001694396,-1112.682483
122,1.8955368394,1.8999565513,-1112.682485
122.5,1.8970332639,1.899828346,-1112.682489
123,1.8985885107,1.8997833971,-1112.682492
123.5,1.9001787943,1.8997916394,-1112.682492
124,1.901815314,1.899873244,-1112.682492
124.5,1.9034325392,1.8999792013,-1112.682492
125,1.9050369867,1.9000771517,-1112.682494
125.5,1.9065913937,1.9001340182,-1112.682498
126,1.907997663,1.9000955373,-1112.682497
126.5,1.9092336864,1.899913381,-1112.682497
127,1.910246852,1.8995924681,-1112.682499
127.5,1.9109204042,1.8990875836,-1112.6825
128,1.9111725442,1.8983010018,-1112.682495
128.5,1.9109779596,1.8972117206,-1112.682494
129,1.9102891207,1.8958172645,-1112.682503
129.5,1.9090457218,1.8940976977,-1112.682497
130,1.907274548,1.8920206501,-1112.682498
130.5,1.9050140213,1.8896002279,-1112.682498
131,1.9022956944,1.8868567584,-1112.682497
131.5,1.8991708354,1.883797038,-1112.682497
132,1.8957246513,1.8804332644,-1112.682503
132.5,1.8920622206,1.8768360451,-1112.682502
133,1.8882556254,1.8730538993,-1112.682488
133.5,1.8843784811,1.8691021824,-1112.682494
134,1.8804784101,1.8650034139,-1112.682497
134.5,1.8765952396,1.8607773202,-1112.682497
135,1.8728130127,1.8564537552,-1112.682499
135.5,1.8691918089,1.8521179675,-1112.682496
136,1.8657325222,1.8477486989,-1112.682494
136.5,1.862395627,1.843316713,-1112.682496
137,1.8591976488,1.8388749393,-1112.6825
137.5,1.8561146254,1.8344723756,-1112.682504
138,1.8531369103,1.8301055757,-1112.682506
138.5,1.8502558563,1.8257649903,-1112.682505
139,1.8473667728,1.8213868129,-1112.682504
139.5,1.8444177206,1.8170069122,-1112.682507
140,1.8414409587,1.8126479346,-1112.682502
140.5,1.8383680686,1.8082387259,-1112.682499
141,1.8352292052,1.8038425825,-1112.6825
141.5,1.8320901135,1.7994954431,-1112.682505
142,1.8289563039,1.7952099054,-1112.682523
142.5,1.8258508001,1.7910121531,-1112.682504
143,1.8228754854,1.7869944393,-1112.682501
143.5,1.8200599118,1.7831373477,-1112.682506
144,1.8174101023,1.7794586475,-1112.682518
144.5,1.8149445837,1.7760129263,-1112.682515
145,1.8126905066,1.7727719313,-1112.682516
145.5,1.8106484408,1.7696903856,-1112.682524
146,1.8087920459,1.7667737018,-1112.682519
146.5,1.8070451408,1.7639464759,-1112.682516
147,1.8054151346,1.761210345,-1112.682525
147.5,1.8038666183,1.7585059717,-1112.68252
148,1.8022912632,1.7557464372,-1112.682517
148.5,1.8006583554,1.7529203989,-1112.682533
149,1.7989202129,1.7500315404,-1112.682538
149.5,1.796969982,1.747011937,-1112.68253
150,1.7947339315,1.7437946029,-1112.682522
150.5,1.7921537208,1.7403948564,-1112.682529
151,1.7892238725,1.7368509485,-1112.682536
151.5,1.7859581297,1.7332144762,-1112.682536
152,1.7823972585,1.7295109781,-1112.682536
152.5,1.7785892506,1.7257963833,-1112.682537
153,1.7745966687,1.7221257295,-1112.68254
153.5,1.7704884425,1.7185996576,-1112.682539
154,1.7663465962,1.7152520419,-1112.68254
154.5,1.7622973929,1.712147912,-1112.68254
155,1.7584395307,1.7093680222,-1112.68254
155.5,1.7548463093,1.7068997835,-1112.68254
156,1.751521886,1.7047514723,-1112.682538
156.5,1.7485511069,1.7029327189,-1112.68254
157,1.7459724536,1.7014389699,-1112.682542
157.5,1.7438573319,1.7002717489,-1112.682539
158,1.7422052401,1.6994261874,-1112.682539
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